7NA

2-hydroxy-7-methoxy-5-methyl naphthoic acid

Created:	2009-07-10
Last modified:	2021-03-01

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1 entries where 7NA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of 7NA

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Chemical Component Summary
Name	2-hydroxy-7-methoxy-5-methyl naphthoic acid
Synonyms	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid
Formula	C₁₃ H₁₂ O₄
Molecular Weight	232.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
SMILES	CACTVS	3.352	COc1cc(C)c2ccc(O)c(C(O)=O)c2c1
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(cc2c1ccc(c2C(=O)O)O)OC
Canonical SMILES	CACTVS	3.352	COc1cc(C)c2ccc(O)c(C(O)=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(cc2c1ccc(c2C(=O)O)O)OC
InChI	InChI	1.03	InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKey	InChI	1.03	LYGUXQMPYLCEGL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10944306
ChEBI	CHEBI:79125

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